C094-1720 Screening compound: N-cyclohexyl-2-[N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-(phenylformamido)acetamido]-2-methylbutanamide

C094-1720 Screening compound: N-cyclohexyl-2-[N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-(phenylformamido)acetamido]-2-methylbutanamide
C094-1720 Screening compound: N-cyclohexyl-2-[N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-(phenylformamido)acetamido]-2-methylbutanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C094-1720
N-cyclohexyl-2-[N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-(phenylformamido)acetamido]-2-methylbutanamide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

C094-1720

Molecular Formula

C31H39N5O4 (C31 H39 N5 O4)

Compound Name

N-cyclohexyl-2-[N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-(phenylformamido)acetamido]-2-methylbutanamide

IUPAC name

N-cyclohexyl-2-[N-(15-dimethyl-3-oxo-2-phenyl-23-dihydro-1H-pyrazol-4-yl)-2-(phenylformamido)acetamido]-2-methylbutanamide

SMILES

CCC(C)(C(NC1CCCCC1)=O)N(C(CNC(c1ccccc1)=O)=O)C(C1=O)=C(C)N(C)N1c1ccccc1

InChI

InChI=1S/C31H39N5O4/c1-5-31(3,30(40)33-24-17-11-7-12-18-24)35(26(37)21-32-28(38)23-15-9-6-10-16-23)27-22(2)34(4)36(29(27)39)25-19-13-8-14-20-25/h6,8-10,13-16,19-20,24H,5,7,11-12,17-18,21H2,1-4H3,(H,32,38)(H,33,40)/t31-/m0/s1

InChI Key

XASBXVVBOXOJPT-HKBQPEDESA-N

MDL Number (MFCD)

MFCD08674013

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

545.68

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.422

Distribution Coefficient, logD

3.422

Water Solubility, LogSw

-3.65

Polar Surface Area

83.677

Acid Dissociation Constant (pKa)

12.68

Base Dissociation Constant (pKb)

1.77

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

41.90

C094-1720 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CORONAVIRUS Library (20774 compounds)

Dark Chemical Matter Library (18430 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
Structure:
  • Pool
  • Mimetics
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with C094-1720 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C094-1720?
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What is the minimum amount of C094-1720 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C094-1720
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C094-1720
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of C094-1720 available by request